Febuxostat Acyl-β-D-glucuronide

Product Name Febuxostat Acyl-β-D-glucuronide
Alternate Names Febuxostat Glucuronides, Glucuronides of Febuxostat
CAT No. CS-O-05714
CAS No. 1351692-92-6
Category Glucuronides
Stock IN-Stock
Mol. Wt. 492.5 g/mol
Mol. For. C₂₂H₂₄N₂O₉S
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Febuxostat
Smileys O=C(C(SC(C1=CC(C#N)=C(OCC(C)C)C=C1)=N2)=C2C)O[C@@H]([C@@H]([C@@H](O)[C@@H]3O)O)O[C@@H]3C(O)=O
Canonical Smiles CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O
InchIKey ZRXRMGPMLDOOKN-FVMGUFKOSA-N
Inchl InChI=1S/C22H24N2O9S/c1-9(2)8-31-13-5-4-11(6-12(13)7-23)19-24-10(3)18(34-19)21(30)33-22-16(27)14(25)15(26)17(32-22)20(28)29/h4-6,9,14-17,22,25-27H,8H2,1-3H3,(H,28,29)/t14-,15-,16+,17-,22-/m0/s1
IUPAC (2S,3S,4S,5R,6S)-6-[2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Controlled No
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